| SpectraBase Compound ID | HYldp0IbXi3 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-10(2)14(16)17-13-8-6-12(7-9-13)5-4-11(3)15/h6-10H,4-5H2,1-3H3 |
| InChIKey | VEABESDNQUAXFH-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uK5m57vbaD |
|---|---|
| Name | Propanoic acid, 2-methyl-, 4-(3-oxobutyl)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-10(2)14(16)17-13-8-6-12(7-9-13)5-4-11(3)15/h6-10H,4-5H2,1-3H3 |
| InChIKey | VEABESDNQUAXFH-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(CC(C)=O)C1=CC=C(C=C1)OC(C(C)C)=O |